2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

C6H13NO3 — CID 10130032

IUPAC2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
SMILESCN1CC(O)C(O)C1CO
InChIInChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3
InChIKeyUBVOJPDDTVFNFJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.99
Rot. Bonds1

About 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol (PubChem CID 10130032) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
PubChem CID10130032
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
SMILESCN1CC(O)C(O)C1CO
InChIInChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3
InChIKeyUBVOJPDDTVFNFJ-UHFFFAOYSA-N
XLogP-1.99
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
2-(Hydroxymethyl)pyrrolidine-3,4-diol
CID 1335
Dideoxy-Imino-Lyxitol
CID 9882222
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)-
CID 452009
(2R,3S,4R)-2-((R)-1-Hydroxyethyl)pyrrolidine-3,4-diol
CID 483390
1,4-dideoxy-1,4-imino-L-xylitol
CID 9898834
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2R,3R,4R)-
CID 451992
1,4-Dideoxy-1,4-Imino-D-Xylitol
CID 9877375
Spyqwytvwzbehs-fsdsqadbsa-
CID 10419725
(2R,3R,4R)-1-Acetyl-3,4-dihydroxy-2-hydroxymethylpyrrolidine
CID 54463964

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol (CID 10130032) is 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol is CN1CC(O)C(O)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
The InChIKey is UBVOJPDDTVFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol?
2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol has a molecular weight of 147.17 g/mol, XLogP of -1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol is sourced from PubChem (CID 10130032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).